ethanedioic acid; N-[[3-(3-methoxyphenyl)-1-(phenylmethyl)pyrazol-4-yl]methyl]cyclopropanamine

Systemtic Name: ethanedioic acid; N-[[3-(3-methoxyphenyl)-1-(phenylmethyl)pyrazol-4-yl]methyl]cyclopropanamine Openeye Name: N-[[1-benzyl-3-(3-methoxyphenyl)pyrazol-4-yl]methyl]cyclopropanamine; oxalic acid CAS Name: N-[[3-(3-methoxyphenyl)-1-(phenylmethyl)-4-pyrazolyl]methyl]cyclopropanamine; oxalic acid IUPAC Name: N-[[1-benzyl-3-(3-methoxyphenyl)pyrazol-4-yl]methyl]cyclopropanamine; oxalic acid Traditional Name: [1-benzyl-3-(3-methoxyphenyl)pyrazol-4-yl]methyl-cyclopropyl-amine; oxalic acid Formula: C23H25N3O5 MolecularWeight: 423.4617

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C2=NN(C=C2CNC3CC3)CC4=CC=CC=C4.C(=O)(C(=O)O)O

Isomeric SMILES

COC1=CC=CC(=C1)C2=NN(C=C2CNC3CC3)CC4=CC=CC=C4.C(=O)(C(=O)O)O

InChI

InChI=1S/C21H23N3O.C2H2O4/c1-25-20-9-5-8-17(12-20)21-18(13-22-19-10-11-19)15-24(23-21)14-16-6-3-2-4-7-16;3-1(4)2(5)6/h2-9,12,15,19,22H,10-11,13-14H2,1H3;(H,3,4)(H,5,6)